1,3,6-trimethylcyclohexa-2,4-diene-1-sulfonic acid

Systemtic Name: 1,3,6-trimethylcyclohexa-2,4-diene-1-sulfonic acid Openeye Name: 1,3,6-trimethylcyclohexa-2,4-diene-1-sulfonic acid CAS Name: 1,3,6-trimethyl-1-cyclohexa-2,4-dienesulfonic acid IUPAC Name: 1,3,6-trimethylcyclohexa-2,4-diene-1-sulfonic acid Traditional Name: 1,3,6-trimethylcyclohexa-2,4-diene-1-sulfonic acid Formula: C9H14O3S MolecularWeight: 202.27066

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(=CC1(C)S(=O)(=O)O)C

Isomeric SMILES

CC1C=CC(=CC1(C)S(=O)(=O)O)C

InChI

InChI=1S/C9H14O3S/c1-7-4-5-8(2)9(3,6-7)13(10,11)12/h4-6,8H,1-3H3,(H,10,11,12)